[1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Openeye Name: [1-[(2-tert-butylsulfanylphenyl)methyl]-2-piperidyl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylic acid [1-[[2-(tert-butylthio)phenyl]methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-2-yl]methyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylic acid [1-[2-(tert-butylthio)benzyl]-2-piperidyl]methyl ester Formula: C30H43N3O4S MolecularWeight: 541.74512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCCCC2COC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCCCC2COC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C30H43N3O4S/c1-30(2,3)38-28-12-7-6-10-23(28)21-33-13-9-8-11-24(33)22-37-29(34)32-16-14-31(15-17-32)25-18-26(35-4)20-27(19-25)36-5/h6-7,10,12,18-20,24H,8-9,11,13-17,21-22H2,1-5H3